2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone - CAS 61466-44-2
Catalog: |
BB031120 |
Product Name: |
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone |
CAS: |
61466-44-2 |
Synonyms: |
(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone |
IUPAC Name: | (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone |
Description: | 2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone (CAS# 61466-44-2) is a useful research chemical. |
Molecular Weight: | 264.28 |
Molecular Formula: | C16H12N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O |
InChI: | InChI=1S/C16H12N2O2/c19-15-9-5-4-8-14(15)16(20)12-10-17-18(11-12)13-6-2-1-3-7-13/h1-11,19H |
InChI Key: | WTRJNEICFURGNX-UHFFFAOYSA-N |
Boiling Point: | 421.9 °C at 760 mmHg |
Density: | 1.23 g/cm3 |
MDL: | MFCD00209592 |
LogP: | 2.80890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2005247110-A1 | Crth2 receptor ligands for medicinal uses | 20040529 |
AU-2005247110-B2 | CRTH2 receptor ligands for medicinal uses | 20040529 |
CA-2568766-A1 | Crth2 receptor ligands for medicinal uses | 20040529 |
EA-014729-B1 | CRTH2 LIGANDS RECEPTOR AND THEIR APPLICATION | 20040529 |
EP-1758579-A1 | Crth2 receptor ligands for medicinal uses | 20040529 |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.089877630 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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